Chemical Properties of 1-(8-Bromo-2,3,6,7-tetrahydrodibenzo[1,2-b; 4,5-b']difuran-4-yl-2-aminopropane, N-methyl

InChI

InChI=1S/C14H18BrNO2/c1-8(16-2)7-11-9-3-5-18-14(9)12(15)10-4-6-17-13(10)11/h8,16H,3-7H2,1-2H3

InChI Key

PGDKTEUJVIBCDB-UHFFFAOYSA-N

Formula

C14H18BrNO2

SMILES

CNC(C)Cc1c2c(c(Br)c3c1OCC3)OCC2

Molecular Weight¹

312.20

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6629		Relay (... Calculated Property
ΔfG°	197.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-192.84	kJ/mol	Relay (... Calculated Property
ΔfusH°	41.06	kJ/mol	Joback Calculated Property
ΔvapH°	91.51	kJ/mol	Relay (... Calculated Property
IE	7.56	eV	Relay (... Calculated Property
log10WS	-3.30		Relay (... Calculated Property
logPoct/wat	2.469		Crippen Calculated Property
McVol	201.860	ml/mol	McGowan Calculated Property
Pc	2746.90	kPa	Joback Calculated Property
Inp	[2204.00; 2259.00]
Inp	2204.00		NIST
Inp	2259.00		NIST
Inp	2204.00		NIST
Tboil	643.77	K	Relay (... Calculated Property
Tc	895.60	K	Relay (... Calculated Property
Tfus	408.06	K	Relay (... Calculated Property
Vc	0.760	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[565.32; 639.71]	J/mol×K	[763.91; 1000.49]
Cp,gas	565.32	J/mol×K	763.91	Joback Calculated Property
Cp,gas	579.37	J/mol×K	803.34	Joback Calculated Property
Cp,gas	592.59	J/mol×K	842.77	Joback Calculated Property
Cp,gas	605.11	J/mol×K	882.20	Joback Calculated Property
Cp,gas	617.06	J/mol×K	921.63	Joback Calculated Property
Cp,gas	628.55	J/mol×K	961.06	Joback Calculated Property
Cp,gas	639.71	J/mol×K	1000.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-(8-Bromo-2,3,6,7-tetrahydrodibenzo[1,2-b; 4,5-b']difuran-4-yl-2-aminopropane, N-methyl.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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